SCHEMBL3935869

SCHEMBL3935869

C#Cc1ccc(OC(F)(F)F)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.39
EPHX2 P34913 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
KMO O15229 2/20 0.36
FFAR1 O14842 1/20 0.36
PTPN1 P18031 2/20 0.35
CFD P00746 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HNF4A P41235 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29746555 0.77 KDM4E (0.50) EPHX2CFDKDM4E
SCHEMBL29646307 0.77 KEAP1 (0.50) EPHX2AKR1C2AKR1C1RXRARXRB
SCHEMBL21518046 0.77 KEAP1 (0.50) EPHX2AKR1C2AKR1C1RXRARXRB
SCHEMBL27051469 0.77 CA12 (0.50) PTGS2EPHX2AKR1C2AKR1C1KMO
SCHEMBL2711853 0.77 KDM4E (0.50) EPHX2CFDKDM4E
SCHEMBL2115556 0.76 TSHR (0.53) MRGPRX4AKR1C2AKR1C1KMOALDH1A1
SCHEMBL29646503 0.76 TSHR (0.53) MRGPRX4AKR1C2AKR1C1KMOALDH1A1
SCHEMBL1505290 0.76 EPHX2 (0.41) EPHX2AKR1C2AKR1C1KMOCFD
SCHEMBL1505292 0.76 CSNK2A1 (0.50) EPHX2MRGPRX4CFDKCNK3KCNK9
SCHEMBL2651040 0.76 ALDH1A1 (0.50) PTGS2EPHX2AKR1C2AKR1C1KMO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ADRA2B 66/4885ADRA2C 54/4885TAS2R14 4057/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 ADRA2B 63/4885ADRA2C 112/4885TAS2R14 3174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.